6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C11H10BrClN2O3S — CID 46870561

IUPAC6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCNC(=O)C1=C(Cl)c2cc(Br)ccc2S(=O)(=O)N1C
InChIInChI=1S/C11H10BrClN2O3S/c1-14-11(16)10-9(13)7-5-6(12)3-4-8(7)19(17,18)15(10)2/h3-5H,1-2H3,(H,14,16)
InChIKeyFAQCDNDPYBUEFM-UHFFFAOYSA-N
MW365.64 g/mol
LogP1.74
Rot. Bonds1

About 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 46870561) has the molecular formula C11H10BrClN2O3S and a molecular weight of 365.64 g/mol. Its IUPAC name is 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID46870561
Molecular FormulaC11H10BrClN2O3S
Molecular Weight365.64 g/mol
Exact Mass363.93
IUPAC Name6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCNC(=O)C1=C(Cl)c2cc(Br)ccc2S(=O)(=O)N1C
InChIInChI=1S/C11H10BrClN2O3S/c1-14-11(16)10-9(13)7-5-6(12)3-4-8(7)19(17,18)15(10)2/h3-5H,1-2H3,(H,14,16)
InChIKeyFAQCDNDPYBUEFM-UHFFFAOYSA-N
XLogP1.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.64
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopropyl-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 46870465
9-bromo-2-fluoro-6-methylbenzo[c][1,2]benzothiazine 5,5-dioxide
CID 177445095
7-bromo-N-(2-carbamoylphenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54705457
4-bromo-2,6-dichloro-N-methylbenzamide
CID 170992492
5-bromo-2-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
CID 130352017
5-bromo-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 47155920
6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54683005
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 141335052
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814629
2,4-dibromo-N-methylbenzamide
CID 54214948
4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
9-bromo-3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol
CID 118374570

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 46870561) is 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CNC(=O)C1=C(Cl)c2cc(Br)ccc2S(=O)(=O)N1C.
What is the InChIKey of 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is FAQCDNDPYBUEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O3S/c1-14-11(16)10-9(13)7-5-6(12)3-4-8(7)19(17,18)15(10)2/h3-5H,1-2H3,(H,14,16).
What are the key properties of 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 365.64 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-N,2-dimethyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 46870561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).